2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- (CAS 100849-44-3) is a chemical compound with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 5,5-diethyl-1-(methylthiomethyl)-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-, 5,5-Diethyl-1-((methylthio)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(methylthiomethyl)-
| Molecular Formula | C10H16N2O3S |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.08817 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 100849-44-3 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CSC)CC |
| InChIKey | QVXZMYYMGSYWEH-UHFFFAOYSA-N |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- (CAS 100849-44-3), with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol. IUPAC: 5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- is 100849-44-3.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- is C10H16N2O3S.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- is 244.09 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.